NMR Restraints Grid

Result table
(Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type

25250 2k78 15913 cing 1-original 5 XPLOR/CNS coupling constant




! Jhnha couplings for all non-glycine residues
!
! Constructed with  script
!
! .PCK file: HNHApeak_2.PCK
!
! N 24
 assign (resid 23 and name c) (resid 24 and name n)
      (resid 24 and name ca) (resid 24 and name c)     8.2  0.5
 
! A 26
 assign (resid 25 and name c) (resid 26 and name n)
      (resid 26 and name ca) (resid 26 and name c)     6.1  0.5
 
! D 27
 assign (resid 26 and name c) (resid 27 and name n)
      (resid 27 and name ca) (resid 27 and name c)     7.6  0.5
 
! S 28
 assign (resid 27 and name c) (resid 28 and name n)
      (resid 28 and name ca) (resid 28 and name c)     7.1  0.5
 
! T 30
 assign (resid 29 and name c) (resid 30 and name n)
      (resid 30 and name ca) (resid 30 and name c)     7.9  0.5
 
! L 31
 assign (resid 30 and name c) (resid 31 and name n)
      (resid 31 and name ca) (resid 31 and name c)     8.6  0.5
 
! N 32
 assign (resid 31 and name c) (resid 32 and name n)
      (resid 32 and name ca) (resid 32 and name c)     6.6  0.5
 
! Y 33
 assign (resid 32 and name c) (resid 33 and name n)
      (resid 33 and name ca) (resid 33 and name c)     6.2  0.5
 
! E 34
 assign (resid 33 and name c) (resid 34 and name n)
      (resid 34 and name ca) (resid 34 and name c)     7.5  0.5
 
! V 35
 assign (resid 34 and name c) (resid 35 and name n)
      (resid 35 and name ca) (resid 35 and name c)     9.1  0.5
 
! Y 36
 assign (resid 35 and name c) (resid 36 and name n)
      (resid 36 and name ca) (resid 36 and name c)     8.4  0.5
 
! K 37
 assign (resid 36 and name c) (resid 37 and name n)
      (resid 37 and name ca) (resid 37 and name c)     5.2  0.5
 
! N 39
 assign (resid 38 and name c) (resid 39 and name n)
      (resid 39 and name ca) (resid 39 and name c)     7.1  0.5
 
! T 40
 assign (resid 39 and name c) (resid 40 and name n)
      (resid 40 and name ca) (resid 40 and name c)     9.7  0.5
 
! N 41
 assign (resid 40 and name c) (resid 41 and name n)
      (resid 41 and name ca) (resid 41 and name c)     9.7  0.5
 
! D 42
 assign (resid 41 and name c) (resid 42 and name n)
      (resid 42 and name ca) (resid 42 and name c)     9.8  0.5
 
! N 51
 assign (resid 50 and name c) (resid 51 and name n)
      (resid 51 and name ca) (resid 51 and name c)     5.8  0.5
 
! K 52
 assign (resid 51 and name c) (resid 52 and name n)
      (resid 52 and name ca) (resid 52 and name c)     8.5  0.5
 
! A 54
 assign (resid 53 and name c) (resid 54 and name n)
      (resid 54 and name ca) (resid 54 and name c)     9.5  0.5
 
! K 55
 assign (resid 54 and name c) (resid 55 and name n)
      (resid 55 and name ca) (resid 55 and name c)     9.3  0.5
 
! Y 56
 assign (resid 55 and name c) (resid 56 and name n)
      (resid 56 and name ca) (resid 56 and name c)     8.9  0.5
 
! I 57
 assign (resid 56 and name c) (resid 57 and name n)
      (resid 57 and name ca) (resid 57 and name c)     7.6  0.5
 
! K 58
 assign (resid 57 and name c) (resid 58 and name n)
      (resid 58 and name ca) (resid 58 and name c)     9.5  0.5
 
! N 60
 assign (resid 59 and name c) (resid 60 and name n)
      (resid 60 and name ca) (resid 60 and name c)     6.6  0.5
 
! Y 64
 assign (resid 63 and name c) (resid 64 and name n)
      (resid 64 and name ca) (resid 64 and name c)     9.2  0.5
 
! Q 66
 assign (resid 65 and name c) (resid 66 and name n)
      (resid 66 and name ca) (resid 66 and name c)     9.0  0.5
 
! I 67
 assign (resid 66 and name c) (resid 67 and name n)
      (resid 67 and name ca) (resid 67 and name c)    10.3  0.5
 
! T 68
 assign (resid 67 and name c) (resid 68 and name n)
      (resid 68 and name ca) (resid 68 and name c)     8.1  0.5
 
! V 69
 assign (resid 68 and name c) (resid 69 and name n)
      (resid 69 and name ca) (resid 69 and name c)     9.5  0.5
 
! N 70
 assign (resid 69 and name c) (resid 70 and name n)
      (resid 70 and name ca) (resid 70 and name c)     9.3  0.5
 
! I 75
 assign (resid 74 and name c) (resid 75 and name n)
      (resid 75 and name ca) (resid 75 and name c)     8.3  0.5
 
! T 76
 assign (resid 75 and name c) (resid 76 and name n)
      (resid 76 and name ca) (resid 76 and name c)     7.7  0.5
 
! M 78
 assign (resid 77 and name c) (resid 78 and name n)
      (resid 78 and name ca) (resid 78 and name c)     7.8  0.5
 
! S 79
 assign (resid 78 and name c) (resid 79 and name n)
      (resid 79 and name ca) (resid 79 and name c)     7.5  0.5
 
! H 83
 assign (resid 82 and name c) (resid 83 and name n)
      (resid 83 and name ca) (resid 83 and name c)     9.4  0.5
 
! K 84
 assign (resid 83 and name c) (resid 84 and name n)
      (resid 84 and name ca) (resid 84 and name c)     5.6  0.5
 
! I 87
 assign (resid 86 and name c) (resid 87 and name n)
      (resid 87 and name ca) (resid 87 and name c)     5.3  0.5
 
! I 88
 assign (resid 87 and name c) (resid 88 and name n)
      (resid 88 and name ca) (resid 88 and name c)     8.7  0.5
 
! S 89
 assign (resid 88 and name c) (resid 89 and name n)
      (resid 89 and name ca) (resid 89 and name c)     5.7  0.5
 
! K 90
 assign (resid 89 and name c) (resid 90 and name n)
      (resid 90 and name ca) (resid 90 and name c)     8.8  0.5
 
! N 91
 assign (resid 90 and name c) (resid 91 and name n)
      (resid 91 and name ca) (resid 91 and name c)     8.9  0.5
 
! A 93
 assign (resid 92 and name c) (resid 93 and name n)
      (resid 93 and name ca) (resid 93 and name c)     4.5  0.5
 
! K 94
 assign (resid 93 and name c) (resid 94 and name n)
      (resid 94 and name ca) (resid 94 and name c)     8.8  0.5
 
! D 95
 assign (resid 94 and name c) (resid 95 and name n)
      (resid 95 and name ca) (resid 95 and name c)     7.3  0.5
 
! E 96
 assign (resid 95 and name c) (resid 96 and name n)
      (resid 96 and name ca) (resid 96 and name c)     8.4  0.5
 
! T 98
 assign (resid 97 and name c) (resid 98 and name n)
      (resid 98 and name ca) (resid 98 and name c)     9.1  0.5
 
! S 99
 assign (resid 98 and name c) (resid 99 and name n)
      (resid 99 and name ca) (resid 99 and name c)     8.7  0.5
 
! E 100
 assign (resid 99 and name c) (resid 100 and name n)
      (resid 100 and name ca) (resid 100 and name c)     8.5  0.5
 
! F 101
 assign (resid 100 and name c) (resid 101 and name n)
      (resid 101 and name ca) (resid 101 and name c)    10.1  0.5
 
! V 103
 assign (resid 102 and name c) (resid 103 and name n)
      (resid 103 and name ca) (resid 103 and name c)     8.3  0.5
 
! K 105
 assign (resid 104 and name c) (resid 105 and name n)
      (resid 105 and name ca) (resid 105 and name c)     6.2  0.5
 
! L 106
 assign (resid 105 and name c) (resid 106 and name n)
      (resid 106 and name ca) (resid 106 and name c)     8.3  0.5
 
! N 107
 assign (resid 106 and name c) (resid 107 and name n)
      (resid 107 and name ca) (resid 107 and name c)     8.7  0.5
 
! K 109
 assign (resid 108 and name c) (resid 109 and name n)
      (resid 109 and name ca) (resid 109 and name c)     7.1  0.5
 
! I 110
 assign (resid 109 and name c) (resid 110 and name n)
      (resid 110 and name ca) (resid 110 and name c)     9.4  0.5
 
! D 111
 assign (resid 110 and name c) (resid 111 and name n)
      (resid 111 and name ca) (resid 111 and name c)     6.4  0.5
 
! K 113
 assign (resid 112 and name c) (resid 113 and name n)
      (resid 113 and name ca) (resid 113 and name c)     8.5  0.5
 
! I 114
 assign (resid 113 and name c) (resid 114 and name n)
      (resid 114 and name ca) (resid 114 and name c)     7.2  0.5
 
! D 115
 assign (resid 114 and name c) (resid 115 and name n)
      (resid 115 and name ca) (resid 115 and name c)     9.5  0.5
 
! Y 117
 assign (resid 116 and name c) (resid 117 and name n)
      (resid 117 and name ca) (resid 117 and name c)     8.0  0.5
 
! D 119
 assign (resid 118 and name c) (resid 119 and name n)
      (resid 119 and name ca) (resid 119 and name c)     6.8  0.5
 
! E 120
 assign (resid 119 and name c) (resid 120 and name n)
      (resid 120 and name ca) (resid 120 and name c)     4.9  0.5
 
! V 122
 assign (resid 121 and name c) (resid 122 and name n)
      (resid 122 and name ca) (resid 122 and name c)     6.4  0.5
 
! K 125
 assign (resid 124 and name c) (resid 125 and name n)
      (resid 125 and name ca) (resid 125 and name c)     8.7  0.5
 
! K 128
 assign (resid 127 and name c) (resid 128 and name n)
      (resid 128 and name ca) (resid 128 and name c)     9.5  0.5
 
! H 131
 assign (resid 130 and name c) (resid 131 and name n)
      (resid 131 and name ca) (resid 131 and name c)     7.8  0.5
 
! H 132
 assign (resid 131 and name c) (resid 132 and name n)
      (resid 132 and name ca) (resid 132 and name c)    10.6  0.5
 
! Y 133
 assign (resid 132 and name c) (resid 133 and name n)
      (resid 133 and name ca) (resid 133 and name c)     7.5  0.5
 
! N 134
 assign (resid 133 and name c) (resid 134 and name n)
      (resid 134 and name ca) (resid 134 and name c)     7.9  0.5
 
! I 135
 assign (resid 134 and name c) (resid 135 and name n)
      (resid 135 and name ca) (resid 135 and name c)     7.3  0.5
 
! T 136
 assign (resid 135 and name c) (resid 136 and name n)
      (resid 136 and name ca) (resid 136 and name c)     7.4  0.5
 
! Y 137
 assign (resid 136 and name c) (resid 137 and name n)
      (resid 137 and name ca) (resid 137 and name c)     8.1  0.5
 
! F 139
 assign (resid 138 and name c) (resid 139 and name n)
      (resid 139 and name ca) (resid 139 and name c)     8.3  0.5
 
! T 143
 assign (resid 142 and name c) (resid 143 and name n)
      (resid 143 and name ca) (resid 143 and name c)     8.2  0.5
 
! V 145
 assign (resid 144 and name c) (resid 145 and name n)
      (resid 145 and name ca) (resid 145 and name c)     8.3  0.5
 
! A 146
 assign (resid 145 and name c) (resid 146 and name n)
      (resid 146 and name ca) (resid 146 and name c)     7.1  0.5
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image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type
	25250	2k78	15913	cing	1-original	5	XPLOR/CNS	coupling constant